[carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid

C10H9FN2O4 — CID 21296218

IUPAC[carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid
SMILESO=C(O)NN(C(=O)F)c1cccc2c1OCC2
InChIInChI=1S/C10H9FN2O4/c11-9(14)13(12-10(15)16)7-3-1-2-6-4-5-17-8(6)7/h1-3,12H,4-5H2,(H,15,16)
InChIKeyGEOWRUCNROTCEU-UHFFFAOYSA-N
MW240.19 g/mol
LogP1.70
Rot. Bonds1

About [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid

[carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid (PubChem CID 21296218) has the molecular formula C10H9FN2O4 and a molecular weight of 240.19 g/mol. Its IUPAC name is [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid.

Molecular Properties

Compound Name[carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid
PubChem CID21296218
Molecular FormulaC10H9FN2O4
Molecular Weight240.19 g/mol
Exact Mass240.05
IUPAC Name[carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid
SMILESO=C(O)NN(C(=O)F)c1cccc2c1OCC2
InChIInChI=1S/C10H9FN2O4/c11-9(14)13(12-10(15)16)7-3-1-2-6-4-5-17-8(6)7/h1-3,12H,4-5H2,(H,15,16)
InChIKeyGEOWRUCNROTCEU-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid?
The IUPAC name of [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid (CID 21296218) is [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid.
What is the SMILES notation for [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid?
The canonical SMILES for [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid is O=C(O)NN(C(=O)F)c1cccc2c1OCC2.
What is the InChIKey of [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid?
The InChIKey is GEOWRUCNROTCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4/c11-9(14)13(12-10(15)16)7-3-1-2-6-4-5-17-8(6)7/h1-3,12H,4-5H2,(H,15,16).
What are the key properties of [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid?
[carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid has a molecular weight of 240.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [carbonofluoridoyl(2,3-dihydro-1-benzofuran-7-yl)amino]carbamic acid is sourced from PubChem (CID 21296218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).